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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL6640
CHEMBL6640
Compound Name TRYPTAMINE
ChEMBL Synonyms Tryptamine HCl
Max Phase 0
Trade Names
Molecular Formula C10H12N2

Additional synonyms for CHEMBL6640 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCc1c[nH]c2ccccc12
Standard InChI InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12 ...
Download InChI
Standard InChI Key APJYDQYYACXCRM-UHFFFAOYSA-N

Structural Alerts

There are no structural alerts for CHEMBL6640

Alternate Forms of Compound in ChEMBL


CHEMBL6640

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
160.2 160.1 1.55 2 41.81 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 2 0 2 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.71 1.54 -.81 2 12 0.69

Compound Cross References

ChemSpider ChemSpider:APJYDQYYACXCRM-UHFFFAOYSA-N
PubChem SID: 11110664 SID: 124879002 SID: 14719299 SID: 90340989
Wikipedia Tryptamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL6640



BindingDB 50024210
ChEBI 16765
DrugBank DB08653
eMolecules 487234
FDA SRS 422ZU9N5TV
Guide to Pharmacology 125
Human Metabolome Database HMDB00303
IBM Patent System C2EA7C50AAA5EC19EE67B3021A5B65B9 4BE47C3B698FF0CD2A3CA410441905B0
KEGG Ligand C00398
Mcule MCULE-6402431765
MolPort MolPort-001-002-280
Nikkaji J4.816J
NMRShiftDB 20143557
PDBe TSS
PubChem 1150
PubChem: Thomson Pharma 14891690
SureChEMBL SCHEMBL26725

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/APJYDQYYACXCRM-UHFFFAOYSA-N spacer
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